General Information of the Compound
| Compound ID |
CP0379273
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| Compound Name |
2-[4,6-difluoro-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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| Structure |
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| Formula |
C24H20F2N6O4S
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| Molecular Weight |
526.525
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(nc3)-c3cnn(C)c3)c3cc(F)cc(F)c23)no1
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| InChI |
InChI=1S/C24H20F2N6O4S/c1-14-5-22(30-36-14)29-23(33)13-37(34,35)21-12-32(20-7-17(25)6-18(26)24(20)21)10-15-3-4-19(27-8-15)16-9-28-31(2)11-16/h3-9,11-12H,10,13H2,1-2H3,(H,29,30,33)
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| InChIKey |
IFTTZIYKSSSEPV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound